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. Author manuscript; available in PMC: 2016 Nov 18.
Published in final edited form as: J Phys Chem B. 2016 May 20;120(33):8707–8721. doi: 10.1021/acs.jpcb.6b04439

Figure 2. Correlations between electrostatic energies (kcal/mol) computed by the charge view and the full Poisson or PBE methods.

Figure 2

A test set of 283 different nucleic acids was modeled with the full PB or the Poisson equations. The charge view energies were computed with the finite-difference Green’s function as eqn (22) – (26). The grid spacing is 1.0 Angstrom. No cutoff is used. Left: Energies from the two methods. Right: Relative Error between this two methods. Top: Poisson equation with the same set up as in Figure 1. The rms relative deviation is 4.0×10−8. Bottom: PB equation with the same set up as in Figure 1. The rms relative deviation is 1.7×10−7.